4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione

C8H8O3 — CID 10419365

IUPAC4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
SMILESCC1=C2C(=O)OCC2CC1=O
InChIInChI=1S/C8H8O3/c1-4-6(9)2-5-3-11-8(10)7(4)5/h5H,2-3H2,1H3
InChIKeyDAVFXUHANSQLOR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.45
Rot. Bonds

About 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione

4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione (PubChem CID 10419365) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione.

Molecular Properties

Compound Name4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
PubChem CID10419365
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
SMILESCC1=C2C(=O)OCC2CC1=O
InChIInChI=1S/C8H8O3/c1-4-6(9)2-5-3-11-8(10)7(4)5/h5H,2-3H2,1H3
InChIKeyDAVFXUHANSQLOR-UHFFFAOYSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
The IUPAC name of 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione (CID 10419365) is 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione.
What is the SMILES notation for 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
The canonical SMILES for 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione is CC1=C2C(=O)OCC2CC1=O.
What is the InChIKey of 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
The InChIKey is DAVFXUHANSQLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-4-6(9)2-5-3-11-8(10)7(4)5/h5H,2-3H2,1H3.
What are the key properties of 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione?
4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione has a molecular weight of 152.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione is sourced from PubChem (CID 10419365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).